N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide

C19H30N4O3 — CID 57197746

IUPACN-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(=C)C(=O)N(CN1CCCCC1)C1CCN(C)C1=O
InChIInChI=1S/C19H30N4O3/c1-14(2)17(24)20-12-15(3)18(25)23(13-22-9-6-5-7-10-22)16-8-11-21(4)19(16)26/h16H,1,3,5-13H2,2,4H3,(H,20,24)
InChIKeyNEFVKBURSFQBGH-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.74
Rot. Bonds7

About N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide

N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide (PubChem CID 57197746) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide
PubChem CID57197746
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(=C)C(=O)N(CN1CCCCC1)C1CCN(C)C1=O
InChIInChI=1S/C19H30N4O3/c1-14(2)17(24)20-12-15(3)18(25)23(13-22-9-6-5-7-10-22)16-8-11-21(4)19(16)26/h16H,1,3,5-13H2,2,4H3,(H,20,24)
InChIKeyNEFVKBURSFQBGH-UHFFFAOYSA-N
XLogP0.74
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide (CID 57197746) is N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide is C=C(C)C(=O)NCC(=C)C(=O)N(CN1CCCCC1)C1CCN(C)C1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide?
The InChIKey is NEFVKBURSFQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(2)17(24)20-12-15(3)18(25)23(13-22-9-6-5-7-10-22)16-8-11-21(4)19(16)26/h16H,1,3,5-13H2,2,4H3,(H,20,24).
What are the key properties of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide?
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide has a molecular weight of 362.47 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrrolidin-3-yl)-2-[(2-methylprop-2-enoylamino)methyl]-N-(piperidin-1-ylmethyl)prop-2-enamide is sourced from PubChem (CID 57197746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).